2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide

C15H21N3O3S — CID 6468167

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1
InChIInChI=1S/C15H21N3O3S/c19-15(16-13-6-7-13)12-17-8-10-18(11-9-17)22(20,21)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,16,19)
InChIKeyYDYUMJNJCDYIMK-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.27
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 6468167) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID6468167
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1
InChIInChI=1S/C15H21N3O3S/c19-15(16-13-6-7-13)12-17-8-10-18(11-9-17)22(20,21)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,16,19)
InChIKeyYDYUMJNJCDYIMK-UHFFFAOYSA-N
XLogP0.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[(phenylsulfonyl)amino]ethyl}acetamide
CID 235761
2-[(Phenylsulfonyl)amino]-1-pyrrolidinylethan-1-one
CID 891761
N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894343
N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2229748
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2985558
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 6468167) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is YDYUMJNJCDYIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-15(16-13-6-7-13)12-17-8-10-18(11-9-17)22(20,21)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,16,19).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 323.42 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 6468167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).